5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride

C7H5F4- — CID 139243623

IUPAC5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride
SMILESFC(F)(F)C=C1C=CC=C1.[F-]
InChIInChI=1S/C7H5F3.FH/c8-7(9,10)5-6-3-1-2-4-6;/h1-5H;1H/p-1
InChIKeyIYBQKOMOHRDDOH-UHFFFAOYSA-M
MW165.11 g/mol
LogP-0.39
Rot. Bonds

About 5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride

5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride (PubChem CID 139243623) has the molecular formula C7H5F4- and a molecular weight of 165.11 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride
PubChem CID139243623
Molecular FormulaC7H5F4-
Molecular Weight165.11 g/mol
Exact Mass165.03
IUPAC Name5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride
SMILESFC(F)(F)C=C1C=CC=C1.[F-]
InChIInChI=1S/C7H5F3.FH/c8-7(9,10)5-6-3-1-2-4-6;/h1-5H;1H/p-1
InChIKeyIYBQKOMOHRDDOH-UHFFFAOYSA-M
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride?
The IUPAC name of 5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride (CID 139243623) is 5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride.
What is the SMILES notation for 5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride?
The canonical SMILES for 5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride is FC(F)(F)C=C1C=CC=C1.[F-].
What is the InChIKey of 5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride?
The InChIKey is IYBQKOMOHRDDOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F3.FH/c8-7(9,10)5-6-3-1-2-4-6;/h1-5H;1H/p-1.
What are the key properties of 5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride?
5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride has a molecular weight of 165.11 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethylidene)cyclopenta-1,3-diene fluoride is sourced from PubChem (CID 139243623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).